Basic information
- CAS
318-22-9- Standard SMILES
O=C1c2ccccc2-c2ccc(NC(=O)C(F)(F)F)cc21- InChIKey
JBUUOKOKZCHZNB-UHFFFAOYSA-N- Molecular formula
- C15H8F3NO2
- Average molar mass
- 291.22 g/mol
- Monoisotopic mass
- 291.05071298
Names & identifiers
- Preferred name
- 2-Trifluoroacetylaminofluoren-9-one
- IUPAC
- 2,2,2-trifluoro-N-(9-oxofluoren-2-yl)acetamide
- English name
- 2,2,2-TRIFLUORO-N-(9-OXOFLUOREN-2-YL)ACETAMIDE
- Molecular formula
- C15H8F3NO2
- Molecular weight
- 291.22
Names & synonyms
2-Trifluoroacetylaminofluoren-9-one318-22-92,2,2-Trifluoro-N-(9-oxofluoren-2-yl)acetamideACETAMIDE, 2,2,2-TRIFLUORO-N-(9-OXOFLUOREN-2-YL)-3YES3VB3EXNSC-123702,2,2-TRIFLUORO-N-(9-OXO-9H-FLUOREN-2-YL)ACETAMIDENSC 12370BRN 3385584WLN: L B656 HVJ EMVXFFFNSC12370UNII-3YES3VB3EX
Show more names
SCHEMBL22336063Acetamide,2,2,2-trifluoro-N-(9-oxo-9H-fluoren-2-yl)-DTXSID80185662JBUUOKOKZCHZNB-UHFFFAOYSA-NDS-0095172,2-Trifluoro-N-(9-oxofluoren-2-yl)acetamideAcetamide,2,2-trifluoro-N-(9-oxofluoren-2-yl)-Acetamide, 2,2,2-trifluoro-N-(9-oxo-9H-fluoren-2-yl)-
Database identifiers
- CAS
318-22-9- PubChem CID
- 9437
- DTXSID
DTXSID80185662- UNII
- 3YES3VB3EX
- Nikkaji
- J33.439A
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 449
Physicochemical properties
- Melting point
- 245.5 · 245.5-246 °C
- Boiling point
- 450.1 · 450.1±45.0 °C(Predicted)
- Density
- 1.3963 · 1.3963 (estimate)
- pka
- 9.41 · 9.41±0.20(Predicted)
- FDA UNII
- 3 YES3VB3EX · 3YES3VB3EX
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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